N-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]-4-phenylbenzamide

C25H24N2O2 — CID 46673962

IUPACN-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]-4-phenylbenzamide
SMILESO=C(CNC(=O)c1ccc(-c2ccccc2)cc1)NC1CCCc2ccccc21
InChIInChI=1S/C25H24N2O2/c28-24(27-23-12-6-10-20-9-4-5-11-22(20)23)17-26-25(29)21-15-13-19(14-16-21)18-7-2-1-3-8-18/h1-5,7-9,11,13-16,23H,6,10,12,17H2,(H,26,29)(H,27,28)
InChIKeyWQKXOAJVNFOHNZ-UHFFFAOYSA-N
MW384.48 g/mol
LogP4.28
Rot. Bonds5

About N-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]-4-phenylbenzamide

N-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]-4-phenylbenzamide (PubChem CID 46673962) has the molecular formula C25H24N2O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is N-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]-4-phenylbenzamide
PubChem CID46673962
Molecular FormulaC25H24N2O2
Molecular Weight384.48 g/mol
Exact Mass384.18
IUPAC NameN-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]-4-phenylbenzamide
SMILESO=C(CNC(=O)c1ccc(-c2ccccc2)cc1)NC1CCCc2ccccc21
InChIInChI=1S/C25H24N2O2/c28-24(27-23-12-6-10-20-9-4-5-11-22(20)23)17-26-25(29)21-15-13-19(14-16-21)18-7-2-1-3-8-18/h1-5,7-9,11,13-16,23H,6,10,12,17H2,(H,26,29)(H,27,28)
InChIKeyWQKXOAJVNFOHNZ-UHFFFAOYSA-N
XLogP4.28
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]-4-phenylbenzamide?
The IUPAC name of N-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]-4-phenylbenzamide (CID 46673962) is N-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]-4-phenylbenzamide.
What is the SMILES notation for N-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]-4-phenylbenzamide?
The canonical SMILES for N-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]-4-phenylbenzamide is O=C(CNC(=O)c1ccc(-c2ccccc2)cc1)NC1CCCc2ccccc21.
What is the InChIKey of N-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]-4-phenylbenzamide?
The InChIKey is WQKXOAJVNFOHNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O2/c28-24(27-23-12-6-10-20-9-4-5-11-22(20)23)17-26-25(29)21-15-13-19(14-16-21)18-7-2-1-3-8-18/h1-5,7-9,11,13-16,23H,6,10,12,17H2,(H,26,29)(H,27,28).
What are the key properties of N-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]-4-phenylbenzamide?
N-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]-4-phenylbenzamide has a molecular weight of 384.48 g/mol, XLogP of 4.28, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]-4-phenylbenzamide is sourced from PubChem (CID 46673962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).